2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide

Systemtic Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]ethanamide Openeye Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide CAS Name: 2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-N-[4-(4-ethyl-1-piperazin-4-iumyl)phenyl]acetamide IUPAC Name: 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Traditional Name: 2-[[1-(2,5-dimethylphenyl)imidazol-2-yl]thio]-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]acetamide Formula: C25H32N5OS+ MolecularWeight: 450.61948

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C4=C(C=CC(=C4)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CSC3=NC=CN3C4=C(C=CC(=C4)C)C

InChI

InChI=1S/C25H31N5OS/c1-4-28-13-15-29(16-14-28)22-9-7-21(8-10-22)27-24(31)18-32-25-26-11-12-30(25)23-17-19(2)5-6-20(23)3/h5-12,17H,4,13-16,18H2,1-3H3,(H,27,31)/p+1